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(-)-(8S)-13-Acetyl-8-phenyl-1-(3-phenylpropanoyl)-1,5,9,13-tetraazacycloheptadecan-6-one

View entire compound with spectra: 2 MS (GC)

(-)-(8S)-13-Acetyl-8-phenyl-1-(3-phenylpropanoyl)-1,5,9,13-tetraazacycloheptadecan-6-one
SpectraBase Compound ID 6YJTC6bw7Hw
InChI InChI=1S/C30H42N4O3/c1-25(35)33-20-8-9-21-34(30(37)17-16-26-12-4-2-5-13-26)23-11-19-32-29(36)24-28(31-18-10-22-33)27-14-6-3-7-15-27/h2-7,12-15,28,31H,8-11,16-24H2,1H3,(H,32,36)/t28-/m0/s1
InChIKey AQTCYVUNHVWJSJ-NDEPHWFRSA-N
Mol Weight 506.7 g/mol
Molecular Formula C30H42N4O3
Exact Mass 506.325691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CuYmWEwBNyB
Name (-)-(8S)-13-Acetyl-8-phenyl-1-(3-phenylpropanoyl)-1,5,9,13-tetraazacycloheptadecan-6-one
Alternate Name(s) (-)-dihydroverbascenine (S)-13-acetyl-8-phenyl-1-(3-phenylpropanoyl)-1,5,9,13-tetraazacycloheptadecan-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H42N4O3
InChI InChI=1S/C30H42N4O3/c1-25(35)33-20-8-9-21-34(30(37)17-16-26-12-4-2-5-13-26)23-11-19-32-29(36)24-28(31-18-10-22-33)27-14-6-3-7-15-27/h2-7,12-15,28,31H,8-11,16-24H2,1H3,(H,32,36)/t28-/m0/s1
InChIKey AQTCYVUNHVWJSJ-NDEPHWFRSA-N
Literature Reference DOI 10.1002_(SICI)1522-2675(19981007)81_10_1773
Molecular Weight 506.691 g/mol
SMILES N1[C@@](CC(NCCCN(CCCCN(C(C)=O)CCC1)C(CCc1ccccc1)=O)=O)(c1ccccc1)[H]
SPLASH splash10-0pbc-6804950000-a83e9d26eb093be5a526
Source of Spectrum H-81-1788-8
Wiley ID 1787434